⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3811251 | 0.73 | MEN1 (0.41) | — | |
| Nitroacetic Acid SCHEMBL153563 | 0.71 | — | — | |
| SCHEMBL15782173 | 0.69 | — | — | |
| SCHEMBL4054090 | 0.69 | — | — | |
| SCHEMBL8335909 | 0.69 | — | — | |
| SCHEMBL961615 | 0.69 | — | — | |
| Nitroacetic Acid SCHEMBL5933850 | 0.69 | MEN1 (0.38) | — | |
| SCHEMBL12804561 | 0.69 | — | — | |
| Nitroacetic Acid SCHEMBL5933854 | 0.69 | — | — | |
| SCHEMBL2441916 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453516-A2 | NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003032994-A2 | NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-04-24 | — | — | WO | disclosed |